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Related entries of code: 4p5z
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4g2fRCSB PDB    PDBbind361aa, >4G2F_1|Chain... *
4gk2RCSB PDB    PDBbind361aa, >4GK2_1|Chain... at 100%
4gk3RCSB PDB    PDBbind361aa, >4GK3_1|Chain... at 100%
4gk4RCSB PDB    PDBbind361aa, >4GK4_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4p5z
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameEPH receptor A3 EphA3
Ligand NameQ7M
EC.Number E.C.2.7.10.1
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Kd=39.3nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Med.Chem. Vol. 57: pp. 6834
Ligand Properties
Formula C25H18F3N7O2
Molecular Weight 505.451
Exact Mass 505.147
No. of atoms 55
No. of bonds 59
Polar Surface Area 140.95
LOGP Value 3.89      (Computed with XLOGP3)
6.35      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 5
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P29320  
Entrez Gene IDNCBI Entrez Gene ID: 2042  
ASDInformation of known allosteric effects of PDB entries
 
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